methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate

C11H22N2O2 — CID 112542976

IUPACmethyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(C(C)C)CN(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)9-5-10(7-13(3)6-9)12-11(14)15-4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeySXRGLCGINRHSQZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.32
Rot. Bonds2

About methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate

methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate (PubChem CID 112542976) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
PubChem CID112542976
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CC(C(C)C)CN(C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)9-5-10(7-13(3)6-9)12-11(14)15-4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeySXRGLCGINRHSQZ-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
CID 112542985
methyl N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112543520
propan-2-yl N-(1-methylazetidin-3-yl)carbamate
CID 131006466
methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
CID 112544128
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
1-methyl-N-(3-propan-2-ylcyclobutyl)azetidin-3-amine
CID 131107734
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543103

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate (CID 112542976) is methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate is COC(=O)NC1CC(C(C)C)CN(C)C1.
What is the InChIKey of methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate?
The InChIKey is SXRGLCGINRHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)9-5-10(7-13(3)6-9)12-11(14)15-4/h8-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate?
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112542976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).